(3β)-3-[(3-Carboxy-3-Methylbutanoyl)Oxy]Lup-20(29)-En-28-Oic Acid
Properties
Property | Value |
---|---|
Formula | C36H56O6 |
IUPAC Name | (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-(3-carboxylato-3-methyl-butanoyl)oxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylvinyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
Molecular Mass | 584.826 g·mol−1 |
Heat of Formation | -1494.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.62 ± 1.08 D |
Volume | 737.79 Å 3 |
Surface Area | 522.8 Å 2 |
HOMO Energy | -9.61 ± 0.55 eV |
LUMO Energy | 0.62 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | YJEJKUQEXFSVCJ-WRFMNRASSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |